Table 1.
Model | Specificity | N-hits a | Feats b | Energy c | Sterics d | Hbond e | Mol-Qry f |
---|---|---|---|---|---|---|---|
1 | 3.65 | 18 | 8 | 9.03 | 690 | 181.40 | 48.51 |
2 | 3.65 | 18 | 8 | 9.03 | 690 | 181.40 | 48.51 |
a N-hits: actual number hit; b Feats: total number of features in the model query; c Energy: total energy of the model; d Sterics: steric overlap for the model; e Hbond: pharmacophoric concordance; f Mol-Qry: agreement between the query tuplet and the pharmacophoric tuplet for the ligands as a group.